SCHEMBL17016805

SCHEMBL17016805

CCOc1ccc(-c2ccc(/C=C(\F)CCCF)cc2F)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.37
▸ PKM P14618 2/20 0.35
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ FGFR2 P21802 2/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ STK17B O94768 1/20 0.31
▸ APP P05067 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ TOP2A P11388 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ PIM1 P11309 1/20 0.30
▸ PIM3 Q86V86 1/20 0.30
▸ PIM2 Q9P1W9 1/20 0.30
▸ IGF1R P08069 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17016785 0.86 FFAR4 (0.33) TUBB1PKMALDH1A1FGFR2FGFR1
SCHEMBL17016918 0.81 FGFR2 (0.35) TUBB1PKMPTGS1PTGS2ALDH1A1
SCHEMBL17016803 0.79 TUBB1 (0.43) TUBB1PKMPTGS1ALDH1A1FGFR2
SCHEMBL18733594 0.76 ALDH1A1 (0.51) TUBB1PKMALDH1A1MEN1KMT2A
SCHEMBL18718217 0.75 TUBB1 (0.49) TUBB1PKMALDH1A1FGFR2FGFR1
SCHEMBL17016780 0.73 KMT2A (0.34) TUBB1PKMALDH1A1FGFR2FGFR1
SCHEMBL18733843 0.73 TUBB1 (0.50) TUBB1PKMALDH1A1FGFR2FGFR1
SCHEMBL17016781 0.72 KMT2A (0.36) TUBB1PKMALDH1A1FGFR2FGFR1
SCHEMBL16855852 0.70 L3MBTL1 (0.42) TUBB1PTGS1PTGS2ALDH1A1FGFR2
SCHEMBL16855936 0.70 NQO1 (0.42) PTGS2FGFR2L3MBTL1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9404040-B2 Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-08-02 — — US disclosed
US-20150232759-A1 Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-08-20 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150232759-A1 Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device PYM1, CXCR1, LEO1 TUBB1 2393/4885PKM 3860/4885PTGS1 3819/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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